logger = logging.getLogger(__name__)
def write_ssbond(ssbond):
- list=[]
+ list=[]
+ if ssbond!='':
ssbond=json.loads(ssbond)
for e in ssbond:
list.append(e[0])
list.append(e[1])
list_sorted=sorted(list)
- if len(list)>0:
+ if len(list)>0:
return str(len(list))+' '+' '.join(map(str,list_sorted))+'\n'+\
str(len(ssbond))+' '+' '.join(map(str,list))+'\n'
- else:
+ else:
return '0\n'
if task.md_pdbref and task.type=='remd':
for i in range(1,6):
+ try:
with open(task.jobdirname+'/file_wham_T'+str(int(task.remd_cluter_temp))+'K_000'+str(i)+'.pdb', 'r') as f:
line=f.readline()
if i==1:
task.remd_model4=' '.join(line.split()[-6:])
elif i==5:
task.remd_model5=' '.join(line.split()[-6:])
-
+ except EnvironmentError:
+ print 'file_wham_T*pdb open error'
for i in range(1,6):
with open(task.jobdirname+'/tmscore'+str(i)+'.out', 'r') as f:
text=''